3-{[4-butoxy-N-(2-methoxyethyl)benzamido]methyl}phenyl ethanesulfonate
Chemical Structure Depiction of
3-{[4-butoxy-N-(2-methoxyethyl)benzamido]methyl}phenyl ethanesulfonate
3-{[4-butoxy-N-(2-methoxyethyl)benzamido]methyl}phenyl ethanesulfonate
Compound characteristics
| Compound ID: | V005-7265 |
| Compound Name: | 3-{[4-butoxy-N-(2-methoxyethyl)benzamido]methyl}phenyl ethanesulfonate |
| Molecular Weight: | 449.57 |
| Molecular Formula: | C23 H31 N O6 S |
| Smiles: | CCCCOc1ccc(cc1)C(N(CCOC)Cc1cccc(c1)OS(CC)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6729 |
| logD: | 3.6729 |
| logSw: | -3.7498 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 67.297 |
| InChI Key: | MSDRXPDEDAVKRU-UHFFFAOYSA-N |